2,2,3,3,7,7,8,8-octamethyl-6,9-dihydro-4H-pyrimido[1,2-a]pyrimidine

C15H29N3 — CID 122519804

IUPAC2,2,3,3,7,7,8,8-octamethyl-6,9-dihydro-4H-pyrimido[1,2-a]pyrimidine
SMILESCC1(C)CN2CC(C)(C)C(C)(C)NC2=NC1(C)C
InChIInChI=1S/C15H29N3/c1-12(2)9-18-10-13(3,4)15(7,8)17-11(18)16-14(12,5)6/h9-10H2,1-8H3,(H,16,17)
InChIKeySBAABRPKFTUWFA-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.87
Rot. Bonds

About 2,2,3,3,7,7,8,8-octamethyl-6,9-dihydro-4H-pyrimido[1,2-a]pyrimidine

2,2,3,3,7,7,8,8-octamethyl-6,9-dihydro-4H-pyrimido[1,2-a]pyrimidine (PubChem CID 122519804) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2,2,3,3,7,7,8,8-octamethyl-6,9-dihydro-4H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2,2,3,3,7,7,8,8-octamethyl-6,9-dihydro-4H-pyrimido[1,2-a]pyrimidine
PubChem CID122519804
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2,2,3,3,7,7,8,8-octamethyl-6,9-dihydro-4H-pyrimido[1,2-a]pyrimidine
SMILESCC1(C)CN2CC(C)(C)C(C)(C)NC2=NC1(C)C
InChIInChI=1S/C15H29N3/c1-12(2)9-18-10-13(3,4)15(7,8)17-11(18)16-14(12,5)6/h9-10H2,1-8H3,(H,16,17)
InChIKeySBAABRPKFTUWFA-UHFFFAOYSA-N
XLogP2.87
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,7,7,8,8-octamethyl-6,9-dihydro-4H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 2,2,3,3,7,7,8,8-octamethyl-6,9-dihydro-4H-pyrimido[1,2-a]pyrimidine (CID 122519804) is 2,2,3,3,7,7,8,8-octamethyl-6,9-dihydro-4H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 2,2,3,3,7,7,8,8-octamethyl-6,9-dihydro-4H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 2,2,3,3,7,7,8,8-octamethyl-6,9-dihydro-4H-pyrimido[1,2-a]pyrimidine is CC1(C)CN2CC(C)(C)C(C)(C)NC2=NC1(C)C.
What is the InChIKey of 2,2,3,3,7,7,8,8-octamethyl-6,9-dihydro-4H-pyrimido[1,2-a]pyrimidine?
The InChIKey is SBAABRPKFTUWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-12(2)9-18-10-13(3,4)15(7,8)17-11(18)16-14(12,5)6/h9-10H2,1-8H3,(H,16,17).
What are the key properties of 2,2,3,3,7,7,8,8-octamethyl-6,9-dihydro-4H-pyrimido[1,2-a]pyrimidine?
2,2,3,3,7,7,8,8-octamethyl-6,9-dihydro-4H-pyrimido[1,2-a]pyrimidine has a molecular weight of 251.42 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,7,7,8,8-octamethyl-6,9-dihydro-4H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 122519804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).